5-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)-3-oxidanyl-1,5-dihydropyrazole-4-carbonitrile

Systemtic Name: 5-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)-3-oxidanyl-1,5-dihydropyrazole-4-carbonitrile Openeye Name: 5-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-1,5-dihydropyrazole-4-carbonitrile CAS Name: 5-(4-chlorophenyl)-2-(4,6-dimethyl-2-pyrimidinyl)-3-hydroxy-1,5-dihydropyrazole-4-carbonitrile IUPAC Name: 5-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-1,5-dihydropyrazole-4-carbonitrile Traditional Name: 3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-5-hydroxy-3-pyrazoline-4-carbonitrile Formula: C16H14ClN5O MolecularWeight: 327.76826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=C(C(N2)C3=CC=C(C=C3)Cl)C#N)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=C(C(N2)C3=CC=C(C=C3)Cl)C#N)O)C

InChI

InChI=1S/C16H14ClN5O/c1-9-7-10(2)20-16(19-9)22-15(23)13(8-18)14(21-22)11-3-5-12(17)6-4-11/h3-7,14,21,23H,1-2H3